SCHEMBL7457448

SCHEMBL7457448

NC(=O)NNCc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
TGM2 P21980 1/20 0.41
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPARA Q07869 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26547106 0.90 TGM2 (0.47) TGM2POLBMEN1KMT2AL3MBTL1
SCHEMBL4985848 0.86 OPRM1 (0.51) SRD5A2SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL4995481 0.84 CYP2C9 (0.56) PPARAGAAMEN1NPC1RAB9A
SCHEMBL4989136 0.84 CYP3A4 (0.48) SMN1; SMN2MAOBGAA
SCHEMBL4994474 0.84 MAPK14 (0.52) SMN1; SMN2MAPTMAOBOPRM1OPRD1
SCHEMBL4992970 0.84 PARP10 (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4995830 0.82 ACACB (0.47) SMN1; SMN2MAPTOPRM1OPRD1OPRK1
SCHEMBL4990775 0.81 MAPK14 (0.56) MAOBPPARAMEN1KMT2AALDH1A1
SCHEMBL7459589 0.81 CARM1 (0.40) MAOBOPRM1OPRD1OPRK1FFAR4
SCHEMBL4994663 0.81 ESRRG (0.56) RXRARXRBMAPTMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058550-A4 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-12-18 EP claimed
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US claimed
EP-1058550-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-12-13 EP claimed
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 WO claimed
WO-1999039712-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (BE) 1999-08-12 WO claimed
EP-1058550-A4 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO CELTIQUE SA (LU) 2002-12-18 EP disclosed
US-6281211-B1 TREATING A DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2001-08-28 US disclosed
EP-1058550-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF Euro-Celtique S.A. (LU) 2000-12-13 EP disclosed
WO-1999039712-A9 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF COCENSYS INC (US) 1999-10-21 WO disclosed
WO-1999039712-A1 SUBSTITUTED SEMICARBAZIDES AND THE USE THEREOF EURO-CELTIQUE S.A. (BE) 1999-08-12 WO disclosed